乙酰丙酮钇水合物

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
  • 表征图谱

乙酰丙酮钇水合物 基本信息

中文名称:
乙酰丙酮钇水合物 
中文别名:
乙酰丙酮钇水合物;
乙酰丙酮钇 
英文名称:
Yttrium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-
英文别名:
(Z)-4-oxopent-2-en-2-olate,yttrium(3+);
ACETYLACETONE,YTTRIUM DERIVATIVE;
YTTRIUM ACETYLACETONATE,99.;
YTTRIUM ACETYLACETONATE;
YTTRIUM-2,4-PENTANEDIONATE;
Yttrium acetylacetonate 
CAS No.:
15554-47-9
分 子 式:
C15H21O6Y
分 子 量:
386.23
精确分子量:
389.06300
PSA:
102.42000
EINECS:
239-607-2
风险术语:
36/37/38
分子结构式:
SDS:
查看

乙酰丙酮钇水合物 制备方法及用途

合成制备方法

将无水乙酰丙酮钇在加热条件下溶于95%乙醇中,当溶解完全时,加入几毫升乙酰丙酮以防止络合物水解,然后加入足够量的水,使乙醇的浓度为60%。慢慢冷却溶液使晶体析出。过滤,用50%乙醇和水洗涤晶体各一次,空气中干燥数小时,产物在密闭容器中储存。

乙酰丙酮钇水合物 物化性质

熔点:
138-140ºC
沸点:
138.4ºC at 760mmHg
闪点:
43.1ºC
蒸汽压:
0.174mmHg at 25°C
其它信息:

1. 性状:黄白色晶体

2. 密度(g/mL,25/4℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):138-140

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 未确定

9. 比旋光度(º): 未确定

10. 自燃点或引燃温度(ºC): 未确定

11. 蒸气压(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC): 未确定

15. 临界压力(KPa): 未确定

16. 油水(辛醇/水)分配系数的对数值: 未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V): 未确定

19. 溶解性:未确定

乙酰丙酮钇水合物 安全信息

危险类别码:
36/37/38
安全说明:
26-36/37/39

乙酰丙酮钇水合物 MSDS


Section 1: Product Identification
   Chemical Name:       Yttrium (III) acetylacetonate hydrate (99.9%-Y) (REO)    
   CAS Registry Number:       15554-47-9    
   Formula:       Y(CH3COCHCOCH3)3.XH2O    
   EINECS Number:       none    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       Tris(2,4-pentanedionato)Yttrium (III), hydrate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       15554-47-9       100%       1mg/m3 (as Y)       1mg/m3 (as Y)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       Causes slight to mild irritation of the eyes    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a sealed container. Keep away from heat and moisture.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white to yellow xtl.    
   Molecular Weight:       386.24    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       halogens and oxidizing agents    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

乙酰丙酮钇水合物 分子结构与计算化学数据

计算化学数据

1、 疏水参数计算参考值(XlogP):

2、 氢键供体数量:0

3、 氢键受体数量:6

4、 可旋转化学键数量:3

5、 互变异构体数量:35

6、 拓扑分子极性表面积(TPSA):120

7、 重原子数量:22

8、 表面电荷:0

9、 复杂度:90.4

10、 同位素原子数量:0

11、 确定原子立构中心数量:0

12、 不确定原子立构中心数量:0

13、 确定化学键立构中心数量:3

14、 不确定化学键立构中心数量:0

15、 共价键单元数量:4

乙酰丙酮钇水合物 表征图谱

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